4-Bromo-2-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile

Basic Information

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CAS Number

122454-29-9

Molecular Formula

C12H5BrClF3N2

Molecular Weight

17.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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C1=CC(=CC=C1C2=C(C(=C(N2)C(F)(F)F)Br)C#N)Cl

InChI

InChI=1S/C12H5BrClF3N2/c13-9-8(5-18)10(19-11(9)12(15,16)17)6-1-3-7(14)4-2-6/h1-4,19H

InChIKey

XNFIRYXKTXAHAC-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

373

Synonyms & References

English

1H-Pyrrole-3-carbonitrile, 4-bromo-2-(4-chlorophenyl)-5-(trifluoromethyl)-
Q17326630
4-bromo-2- (p-chlorophenyl)-5-(trifluoromethyl)pyrrole-3-carbonitrile
AS-73211
SCHEMBL116957
4-bromanyl-2-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile
MFCD13184274
AKOS015907736
FT-0653194
NCGC00357062-01
122454-29-9
Econea
MEC6MCY7QB
CL-303268
4-bromo-2-(p-chlorophenyl)-5-(trifluoromethyl)-pyrrole-3-carbonitrile
UNII-MEC6MCY7QB
Tralopyril
4-bromo-2-(4-chlorophenyl)-5-(tri-fluoromethyl)pyrrole-3-carbonitrile
CHEMBL2253356
Tox21_303769
4-Bromo-2-(4-chlorophenyl)-5-(trifluoromethyl)pyrrole-3-carbonitrile
Tralopyril, PESTANAL(R), analytical standard
NS00020735
2-p-chlorophenyl-4-bromo-5-trifluoromethyl-3-cyanopyrrole
4-BROMO-2-(4-CHLOROPHENYL)-3-CYANO-5-(TRIFLUOROMETHYL)PYRROLE
D95858
CAS-122454-29-9
Tralopyril [ISO]
CS-0442681
4-bromo-2-(p-chlorophenyl)-5-(trifluoromethyl)pyrrole-3-carbonitrile
DTXCID4021503

MDL Number

MFCD13184274

FAQ

What is 4-Bromo-2-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile (CAS: 122454-29-9)?

4-Bromo-2-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile (CAS: 122454-29-9) is a complex organic compound with the molecular formula C14H7BrClF3N. It is an aromatic heterocyclic compound with a pyrrole ring, bromine, chlorine, and trifluoromethyl substituents. This compound is characterized by its high reactivity and stability in various chemical reactions.

What are the main uses of 4-Bromo-2-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile (CAS: 122454-29-9)?

4-Bromo-2-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile (CAS: 122454-29-9) is primarily used in pharmaceuticals and chemical research. It serves as a precursor in the synthesis of various organic compounds and is also used in the development of new drug candidates due to its structural complexity and potential bioactivity.

Is 4-Bromo-2-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile (CAS: 122454-29-9) safe?

4-Bromo-2-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile (CAS: 122454-29-9) requires strict handling due to its reactivity and potential hazards. It is important to follow all safety guidelines, including the use of appropriate personal protective equipment (PPE) and proper ventilation. Storage should be in a secure, labeled container away from flammable materials and oxidizers.

How should 4-Bromo-2-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile (CAS: 122454-29-9) be stored?

4-Bromo-2-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile (CAS: 122454-29-9) should be stored in a cool, dry place away from heat sources and direct sunlight. It should be kept in a tightly sealed container to prevent degradation. Ideal storage conditions include a temperature range of 15-25°C and a relative humidity below 50%.